Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.40 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.40 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.40 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3541317 | 0.83 | HPGD (0.50) | ALDH1A1MAPK1HIF1ASLC6A2SLC6A4 | |
| SCHEMBL8672222 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MAPK1HIF1ASLC6A2SLC6A4 | |
| SCHEMBL8672090 | 0.80 | PLAAT3 (0.55) | ALDH1A1SLC6A2SLC6A4HPGDPLAAT3 | |
| SCHEMBL8672261 | 0.77 | ALDH1A1 (0.61) | ALDH1A1MAPK1HIF1ASLC6A2SLC6A4 | |
| SCHEMBL8667348 | 0.76 | NPC1 (0.53) | ALDH1A1MAPK1L3MBTL1HTTNPSR1 | |
| SCHEMBL8672100 | 0.74 | NPC1 (0.51) | ALDH1A1MAPK1L3MBTL1HTTNPSR1 | |
| SCHEMBL8671700 | 0.72 | RAB9A (0.49) | ALDH1A1MAPK1HIF1AHPGDCYP2D6 | |
| SCHEMBL31107315 | 0.70 | PYCR1 (0.51) | ALDH1A1MAPK1HIF1ASLC6A2SLC6A4 | |
| SCHEMBL260512 | 0.70 | CHRM1 (0.57) | ALDH1A1MAPK1ERCC1ERCC4NR4A2 | |
| SCHEMBL29419329 | 0.70 | CHRM1 (0.57) | ALDH1A1MAPK1ERCC1ERCC4NR4A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834514-A | INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-11-10 | — | — | US | claimed |
| US-5834514-A | INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-11-10 | — | — | US | disclosed |